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Compile Data Set for Download or QSAR

Found 66 hits with Last Name = 'brewer' and Initial = 'ml'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50234380
PNG
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3
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3n/an/an/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234380
PNG
(CHEMBL245876 | quinolin-8-yl 4-methyl-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Oc1cccc2cccnc12
Show InChI InChI=1S/C22H22N2O4S/c1-16-10-11-18(15-20(16)29(26,27)24-13-3-2-4-14-24)22(25)28-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3
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4n/an/an/an/an/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK cells


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50118216
PNG
((4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl di...)
Show SMILES Cc1ncc(COP(O)(O)=O)c(C=O)c1O
Show InChI InChI=1S/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
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7.30E+6n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM4706
PNG
((2R,3R,4S)-3-acetamido-4-hydroxy-2-[(1R,2R)-1,2,3-...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)C=C(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O |r,c:7|
Show InChI InChI=1S/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
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1.23E+7n/an/an/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266507
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2,5-dimethylphenyl)but...)
Show SMILES Cc1ccc(C)c(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C19H17NO2S/c1-12-7-8-13(2)14(9-12)10-15(11-18(21)22)19-20-16-5-3-4-6-17(16)23-19/h3-10H,11H2,1-2H3,(H,21,22)/p-1/b15-10+
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n/an/a 1.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266479
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-fluorophenyl)but-3-e...)
Show SMILES [O-]C(=O)C\C(=C/c1cccc(F)c1)c1nc2ccccc2s1
Show InChI InChI=1S/C17H12FNO2S/c18-13-5-3-4-11(9-13)8-12(10-16(20)21)17-19-14-6-1-2-7-15(14)22-17/h1-9H,10H2,(H,20,21)/p-1/b12-8+
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University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266509
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-(trifluoromethyl)phe...)
Show SMILES [O-]C(=O)C\C(=C/c1cccc(c1)C(F)(F)F)c1nc2ccccc2s1
Show InChI InChI=1S/C18H12F3NO2S/c19-18(20,21)13-5-3-4-11(9-13)8-12(10-16(23)24)17-22-14-6-1-2-7-15(14)25-17/h1-9H,10H2,(H,23,24)/p-1/b12-8+
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266386
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-isopropoxyphenyl)but...)
Show SMILES CC(C)Oc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19NO3S/c1-13(2)24-17-9-5-3-7-14(17)11-15(12-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b15-11+
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
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n/an/a 1.60E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266478
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3,4-dimethoxyphenyl)bu...)
Show SMILES COc1ccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)cc1OC
Show InChI InChI=1S/C19H17NO4S/c1-23-15-8-7-12(10-16(15)24-2)9-13(11-18(21)22)19-20-14-5-3-4-6-17(14)25-19/h3-10H,11H2,1-2H3,(H,21,22)/p-1/b13-9+
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n/an/a 1.80E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266444
PNG
(2-(4,5-dimethyl-3-(propoxycarbonyl)thiophen-2-ylca...)
Show SMILES CCCOC(=O)c1c(C)c(C)sc1NC(=O)C1CCCCC1C([O-])=O
Show InChI InChI=1S/C18H25NO5S/c1-4-9-24-18(23)14-10(2)11(3)25-16(14)19-15(20)12-7-5-6-8-13(12)17(21)22/h12-13H,4-9H2,1-3H3,(H,19,20)(H,21,22)/p-1
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n/an/a 2.10E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266334
PNG
(2-(2-acetyl-5-tert-butylthiophen-3-ylcarbamoyl)ben...)
Show SMILES CC(=O)c1sc(cc1NC(=O)c1ccccc1C([O-])=O)C(C)(C)C
Show InChI InChI=1S/C18H19NO4S/c1-10(20)15-13(9-14(24-15)18(2,3)4)19-16(21)11-7-5-6-8-12(11)17(22)23/h5-9H,1-4H3,(H,19,21)(H,22,23)/p-1
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266335
PNG
((5-(2-(benzo[d][1,3]dioxol-5-ylamino)-2-oxoethylth...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)[N-]c1nnc(SCC(=O)Nc2ccc3OCOc3c2)s1
Show InChI InChI=1S/C18H16N4O5S3/c1-11-2-5-13(6-3-11)30(24,25)22-17-20-21-18(29-17)28-9-16(23)19-12-4-7-14-15(8-12)27-10-26-14/h2-8H,9-10H2,1H3,(H2,19,20,22,23)/p-1
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n/an/a 2.80E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266510
PNG
(2-(2-acetylthiophen-3-ylcarbamoyl)benzoate | cid_2...)
Show SMILES CC(=O)c1sccc1NC(=O)c1ccccc1C([O-])=O
Show InChI InChI=1S/C14H11NO4S/c1-8(16)12-11(6-7-20-12)15-13(17)9-4-2-3-5-10(9)14(18)19/h2-7H,1H3,(H,15,17)(H,18,19)/p-1
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n/an/a 2.90E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266386
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-isopropoxyphenyl)but...)
Show SMILES CC(C)Oc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C20H19NO3S/c1-13(2)24-17-9-5-3-7-14(17)11-15(12-19(22)23)20-21-16-8-4-6-10-18(16)25-20/h3-11,13H,12H2,1-2H3,(H,22,23)/p-1/b15-11+
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n/an/a 2.90E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266477
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-methoxyphenyl)but-3-...)
Show SMILES COc1cccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C18H15NO3S/c1-22-14-6-4-5-12(10-14)9-13(11-17(20)21)18-19-15-7-2-3-8-16(15)23-18/h2-10H,11H2,1H3,(H,20,21)/p-1/b13-9+
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n/an/a 3.10E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by MuNANA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266506
PNG
(3-(benzo[d]thiazol-2-yl)-4-(2-ethoxyphenyl)but-3-e...)
Show SMILES CCOc1ccccc1\C=C(/CC([O-])=O)c1nc2ccccc2s1
Show InChI InChI=1S/C19H17NO3S/c1-2-23-16-9-5-3-7-13(16)11-14(12-18(21)22)19-20-15-8-4-6-10-17(15)24-19/h3-11H,2,12H2,1H3,(H,21,22)/p-1/b14-11+
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n/an/a 4.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM4733
PNG
(5-Acetylamino-6-aminopyridine-2-carboxylic acid | ...)
Show SMILES CC(=O)Nc1ccc(nc1N)C(O)=O
Show InChI InChI=1S/C8H9N3O3/c1-4(12)10-5-2-3-6(8(13)14)11-7(5)9/h2-3H,1H3,(H2,9,11)(H,10,12)(H,13,14)
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n/an/a 4.40E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266508
PNG
(3-(benzo[d]thiazol-2-yl)-4-(3-hydroxyphenyl)but-3-...)
Show SMILES Oc1cccc(\C=C(/CC([O-])=O)c2nc3ccccc3s2)c1
Show InChI InChI=1S/C17H13NO3S/c19-13-5-3-4-11(9-13)8-12(10-16(20)21)17-18-14-6-1-2-7-15(14)22-17/h1-9,19H,10H2,(H,20,21)/p-1/b12-8+
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n/an/a 5.20E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase by TIA assay


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266705
PNG
(4-acetamido-3-(hydroxymethyl)benzoate)
Show SMILES CC(=O)Nc1ccc(cc1CO)C([O-])=O
Show InChI InChI=1S/C10H11NO4/c1-6(13)11-9-3-2-7(10(14)15)4-8(9)5-12/h2-4,12H,5H2,1H3,(H,11,13)(H,14,15)/p-1
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n/an/a 5.40E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50377984
PNG
(Cephulac Syrup | Cholac | Chronulac | Constilac | ...)
Show SMILES OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/t4-,5-,6+,7+,8-,9-,10+,11+,12-/m1/s1
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n/an/a 5.70E+5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266707
PNG
((3S,4S,5R)-4-acetamido-3,5-dihydroxycyclohex-1-eny...)
Show SMILES CC(=O)N[C@@H]1[C@@H](O)CC(=C[C@@H]1O)P([O-])(=O)CCO[C@@H]1[C@@H](O)C(O)O[C@H](CO)[C@@H]1O |r,c:8|
Show InChI InChI=1S/C16H28NO11P/c1-7(19)17-12-9(20)4-8(5-10(12)21)29(25,26)3-2-27-15-13(22)11(6-18)28-16(24)14(15)23/h4,9-16,18,20-24H,2-3,5-6H2,1H3,(H,17,19)(H,25,26)/p-1/t9-,10-,11+,12-,13-,14+,15-,16?/m0/s1
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n/an/a 1.50E+6n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Trans-sialidase


(Trypanosoma cruzi)
BDBM50266703
PNG
(ethyl (3S,4R,5R)-4-acetamido-3-hydroxy-5-(2-hydrox...)
Show SMILES CCOP([O-])(=O)C1=C[C@H](O)[C@@H](NC(C)=O)[C@@H](C1)OCCO |r,t:6|
Show InChI InChI=1S/C12H22NO7P/c1-3-20-21(17,18)9-6-10(16)12(13-8(2)15)11(7-9)19-5-4-14/h6,10-12,14,16H,3-5,7H2,1-2H3,(H,13,15)(H,17,18)/p-1/t10-,11+,12+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma cruzi trans-Sialidase


Bioorg Med Chem Lett 19: 589-96 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.065
BindingDB Entry DOI: 10.7270/Q2X92C7J
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234399
PNG
(4-methyl-3-(piperidin-1-ylsulfonyl)-N-(quinolin-8-...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc2cccnc12
Show InChI InChI=1S/C22H23N3O3S/c1-16-10-11-18(15-20(16)29(27,28)25-13-3-2-4-14-25)22(26)24-19-9-5-7-17-8-6-12-23-21(17)19/h5-12,15H,2-4,13-14H2,1H3,(H,24,26)
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n/an/an/an/a 4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234405
PNG
((3-(4-hydroxypiperidin-1-ylsulfonyl)-4-methylpheny...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCC(O)CC1)C(=O)N1CCC2CCCCC2C1 |w:22.23,27.30|
Show InChI InChI=1S/C22H32N2O4S/c1-16-6-7-18(14-21(16)29(27,28)24-12-9-20(25)10-13-24)22(26)23-11-8-17-4-2-3-5-19(17)15-23/h6-7,14,17,19-20,25H,2-5,8-13,15H2,1H3
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n/an/an/an/a 215n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234403
PNG
((S)-N-(1-cyclohexylethyl)-4-methyl-3-(piperidin-1-...)
Show SMILES C[C@H](NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C21H32N2O3S/c1-16-11-12-19(21(24)22-17(2)18-9-5-3-6-10-18)15-20(16)27(25,26)23-13-7-4-8-14-23/h11-12,15,17-18H,3-10,13-14H2,1-2H3,(H,22,24)/t17-/m0/s1
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n/an/an/an/a 5n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234400
PNG
(4-methyl-N-(2-(methylsulfonyl)phenyl)-3-(piperidin...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C20H24N2O5S2/c1-15-10-11-16(14-19(15)29(26,27)22-12-6-3-7-13-22)20(23)21-17-8-4-5-9-18(17)28(2,24)25/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
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n/an/an/an/a 6n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234401
PNG
((3-(azetidin-1-ylsulfonyl)-4-methylphenyl)(octahyd...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCC1)C(=O)N1CCC2CCCCC2C1 |w:19.20,24.27|
Show InChI InChI=1S/C20H28N2O3S/c1-15-7-8-17(13-19(15)26(24,25)22-10-4-11-22)20(23)21-12-9-16-5-2-3-6-18(16)14-21/h7-8,13,16,18H,2-6,9-12,14H2,1H3
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n/an/an/an/a 13n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234407
PNG
((4-chloro-3-(pyrrolidin-1-ylsulfonyl)phenyl)(octah...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N1CCC2CCCCC2C1 |w:20.21,25.28|
Show InChI InChI=1S/C20H27ClN2O3S/c21-18-8-7-16(13-19(18)27(25,26)23-10-3-4-11-23)20(24)22-12-9-15-5-1-2-6-17(15)14-22/h7-8,13,15,17H,1-6,9-12,14H2
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n/an/an/an/a 4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234406
PNG
(4-chloro-N-cyclohexyl-3-(pyrrolidin-1-ylsulfonyl)b...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C17H23ClN2O3S/c18-15-9-8-13(17(21)19-14-6-2-1-3-7-14)12-16(15)24(22,23)20-10-4-5-11-20/h8-9,12,14H,1-7,10-11H2,(H,19,21)
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n/an/an/an/a 3n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234404
PNG
(CHEMBL254325 | [3-(1,1-dioxo-1lambda-6-thiomorphol...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCS(=O)(=O)CC1)C(=O)N1CCC2CCCCC2C1 |w:23.24,28.31|
Show InChI InChI=1S/C21H30N2O5S2/c1-16-6-7-18(21(24)22-9-8-17-4-2-3-5-19(17)15-22)14-20(16)30(27,28)23-10-12-29(25,26)13-11-23/h6-7,14,17,19H,2-5,8-13,15H2,1H3
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n/an/an/an/a 2n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234408
PNG
(CHEMBL253462 | N-(3-chlorophenyl)-4-methyl-3-(pipe...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O3S/c1-14-8-9-15(19(23)21-17-7-5-6-16(20)13-17)12-18(14)26(24,25)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11H2,1H3,(H,21,23)
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n/an/an/an/a 27n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234410
PNG
((4-chloro-3-(pyrrolidin-1-ylsulfonyl)phenyl)((tran...)
Show SMILES Clc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N1CC[C@@H]2CCCC[C@H]2C1
Show InChI InChI=1S/C20H27ClN2O3S/c21-18-8-7-16(13-19(18)27(25,26)23-10-3-4-11-23)20(24)22-12-9-15-5-1-2-6-17(15)14-22/h7-8,13,15,17H,1-6,9-12,14H2/t15-,17-/m0/s1
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n/an/an/an/a 3n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234409
PNG
((4-methyl-3-(piperidin-1-ylsulfonyl)phenyl)(piperi...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H26N2O3S/c1-15-8-9-16(18(21)19-10-4-2-5-11-19)14-17(15)24(22,23)20-12-6-3-7-13-20/h8-9,14H,2-7,10-13H2,1H3
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n/an/an/an/a 82n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234413
PNG
(5-(decahydroisoquinoline-2-carbonyl)-N-isopropyl-2...)
Show SMILES CC(C)NS(=O)(=O)c1cc(ccc1C)C(=O)N1CCC2CCCCC2C1 |w:19.19,24.26|
Show InChI InChI=1S/C20H30N2O3S/c1-14(2)21-26(24,25)19-12-17(9-8-15(19)3)20(23)22-11-10-16-6-4-5-7-18(16)13-22/h8-9,12,14,16,18,21H,4-7,10-11,13H2,1-3H3
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n/an/an/an/a 2.28E+3n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234412
PNG
((4-isopropyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)(oc...)
Show SMILES CC(C)c1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N1CCC2CCCCC2C1 |w:22.23,27.30|
Show InChI InChI=1S/C23H34N2O3S/c1-17(2)21-10-9-19(15-22(21)29(27,28)25-12-5-6-13-25)23(26)24-14-11-18-7-3-4-8-20(18)16-24/h9-10,15,17-18,20H,3-8,11-14,16H2,1-2H3
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n/an/an/an/a 0.400n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234415
PNG
(CHEMBL253461 | N-(2-chlorophenyl)-N,4-dimethyl-3-(...)
Show SMILES CN(C(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)c1ccccc1Cl
Show InChI InChI=1S/C20H23ClN2O3S/c1-15-10-11-16(20(24)22(2)18-9-5-4-8-17(18)21)14-19(15)27(25,26)23-12-6-3-7-13-23/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234414
PNG
(CHEMBL402768 | N-(2-chlorophenyl)-4-methyl-3-(pipe...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C19H21ClN2O3S/c1-14-9-10-15(19(23)21-17-8-4-3-7-16(17)20)13-18(14)26(24,25)22-11-5-2-6-12-22/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,23)
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n/an/an/an/a 5n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234419
PNG
(((trans)-octahydroisoquinolin-2(1H)-yl)(3-(pyrroli...)
Show SMILES O=C(N1CC[C@@H]2CCCC[C@H]2C1)c1cccc(c1)S(=O)(=O)N1CCCC1
Show InChI InChI=1S/C20H28N2O3S/c23-20(21-13-10-16-6-1-2-7-18(16)15-21)17-8-5-9-19(14-17)26(24,25)22-11-3-4-12-22/h5,8-9,14,16,18H,1-4,6-7,10-13,15H2/t16-,18-/m0/s1
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n/an/an/an/a>2.00E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234417
PNG
(CHEMBL254730 | N-cyclohexyl-4-isopropyl-3-(pyrroli...)
Show SMILES CC(C)c1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C20H30N2O3S/c1-15(2)18-11-10-16(20(23)21-17-8-4-3-5-9-17)14-19(18)26(24,25)22-12-6-7-13-22/h10-11,14-15,17H,3-9,12-13H2,1-2H3,(H,21,23)
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n/an/an/an/a 4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234418
PNG
((2,3-Dichloro-phenyl)-[5-methoxy-2-methyl-3-(2-mor...)
Show SMILES COc1ccc2n(C(=O)c3cccc(Cl)c3Cl)c(C)c(CCN3CCOCC3)c2c1
Show InChI InChI=1S/C23H24Cl2N2O3/c1-15-17(8-9-26-10-12-30-13-11-26)19-14-16(29-2)6-7-21(19)27(15)23(28)18-4-3-5-20(24)22(18)25/h3-7,14H,8-13H2,1-2H3
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n/an/an/an/a 0.650n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234411
PNG
((R)-N-(1-cyclohexylethyl)-4-methyl-3-(piperidin-1-...)
Show SMILES C[C@@H](NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)C1CCCCC1
Show InChI InChI=1S/C21H32N2O3S/c1-16-11-12-19(21(24)22-17(2)18-9-5-3-6-10-18)15-20(16)27(25,26)23-13-7-4-8-14-23/h11-12,15,17-18H,3-10,13-14H2,1-2H3,(H,22,24)/t17-/m1/s1
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n/an/an/an/a 18n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234416
PNG
(CHEMBL439248 | N-(isoquinolin-1-yl)-4-methyl-3-(pi...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1nccc2ccccc12
Show InChI InChI=1S/C22H23N3O3S/c1-16-9-10-18(15-20(16)29(27,28)25-13-5-2-6-14-25)22(26)24-21-19-8-4-3-7-17(19)11-12-23-21/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,23,24,26)
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n/an/an/an/a 1n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234421
PNG
(CHEMBL253056 | N-cyclohexyl-N,4-dimethyl-3-(piperi...)
Show SMILES CN(C1CCCCC1)C(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H30N2O3S/c1-16-11-12-17(20(23)21(2)18-9-5-3-6-10-18)15-19(16)26(24,25)22-13-7-4-8-14-22/h11-12,15,18H,3-10,13-14H2,1-2H3
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n/an/an/an/a 119n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234422
PNG
((4-methyl-3-(pyrrolidin-1-ylsulfonyl)phenyl)(octah...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCC1)C(=O)N1CCC2CCCCC2C1 |w:20.21,25.28|
Show InChI InChI=1S/C21H30N2O3S/c1-16-8-9-18(14-20(16)27(25,26)23-11-4-5-12-23)21(24)22-13-10-17-6-2-3-7-19(17)15-22/h8-9,14,17,19H,2-7,10-13,15H2,1H3
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n/an/an/an/a 4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234420
PNG
(5-(decahydroisoquinoline-2-carbonyl)-2-methyl-N-ph...)
Show SMILES Cc1ccc(cc1S(=O)(=O)Nc1ccccc1)C(=O)N1CCC2CCCCC2C1 |w:22.23,27.30|
Show InChI InChI=1S/C23H28N2O3S/c1-17-11-12-19(15-22(17)29(27,28)24-21-9-3-2-4-10-21)23(26)25-14-13-18-7-5-6-8-20(18)16-25/h2-4,9-12,15,18,20,24H,5-8,13-14,16H2,1H3
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n/an/an/an/a>2.00E+4n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234402
PNG
(4-methyl-N-phenyl-3-(piperidin-1-ylsulfonyl)benzam...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H22N2O3S/c1-15-10-11-16(19(22)20-17-8-4-2-5-9-17)14-18(15)25(23,24)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,20,22)
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n/an/an/an/a 139n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234398
PNG
(CHEMBL269477 | N-(2-methoxyphenyl)-4-methyl-3-(pip...)
Show SMILES COc1ccccc1NC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C20H24N2O4S/c1-15-10-11-16(20(23)21-17-8-4-5-9-18(17)26-2)14-19(15)27(24,25)22-12-6-3-7-13-22/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3,(H,21,23)
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n/an/an/an/a 21n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234394
PNG
((4-methyl-3-(piperidin-1-ylsulfonyl)phenyl)((trans...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)N1CC[C@@H]2CCCC[C@H]2C1
Show InChI InChI=1S/C22H32N2O3S/c1-17-9-10-19(15-21(17)28(26,27)24-12-5-2-6-13-24)22(25)23-14-11-18-7-3-4-8-20(18)16-23/h9-10,15,18,20H,2-8,11-14,16H2,1H3/t18-,20-/m0/s1
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n/an/an/an/a 1n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50234396
PNG
((4-methyl-3-(morpholinosulfonyl)phenyl)(octahydroi...)
Show SMILES Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CCC2CCCCC2C1 |w:21.22,26.29|
Show InChI InChI=1S/C21H30N2O4S/c1-16-6-7-18(14-20(16)28(25,26)23-10-12-27-13-11-23)21(24)22-9-8-17-4-2-3-5-19(17)15-22/h6-7,14,17,19H,2-5,8-13,15H2,1H3
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n/an/an/an/a 5n/an/an/an/a



Evotec (UK) Ltd.

Curated by ChEMBL


Assay Description
Agonist activity at human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-stimulated cAMP level


Bioorg Med Chem Lett 18: 1725-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.042
BindingDB Entry DOI: 10.7270/Q2X92B1F
More data for this
Ligand-Target Pair
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